4-chloranyl-N-(4-fluorophenyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(4-fluorophenyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-4-chloro-N-(4-fluorophenyl)benzenesulfonamide CAS Name: 4-chloro-N-(4-fluorophenyl)-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-4-chloro-N-(4-fluorophenyl)benzenesulfonamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-4-chloro-N-(4-fluorophenyl)benzenesulfonamide Formula: C24H24ClFN3O3S+ MolecularWeight: 488.982063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C24H23ClFN3O3S/c25-23-11-10-21(33(31,32)27-20-8-6-19(26)7-9-20)16-22(23)24(30)29-14-12-28(13-15-29)17-18-4-2-1-3-5-18/h1-11,16,27H,12-15,17H2/p+1